 Entering Gaussian System, Link 0=g16
 Input=04_BrClFmethane_STD_B3LYPDBJ-augccpVDZr.in
 Output=04_BrClFmethane_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/04_R-BrClFmethane_STD/Gau-85609.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/04_R-BrClFmethane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     85610.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                10-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=04_BrClFmethane_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sat Jul 10 01:31:31 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "04_BrClFmethane_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.580263000000      0.462073000000      0.411344000000
  Cl                                                1.835659000000     -0.687806000000     -0.067556000000
  Br                                               -1.211307000000     -0.184780000000     -0.028129000000
  F                                                 0.787779000000      1.643768000000     -0.202445000000
  H                                                 0.617958000000      0.593649000000      1.486907000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1
 NAtoms=      5 NQM=        5 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5
 IAtWgt=          12          35          79          19           1
 AtmWgt=  12.0000000  34.9688527  78.9183361  18.9984033   1.0078250
 NucSpn=           0           3           3           1           1
 AtZEff=   3.6000000  14.2400000  24.5000000   6.7500000   1.0000000
 NQMom=    0.0000000  -8.1650000  31.3000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.8218740   2.1063990   2.6288670   2.7928460
 AtZNuc=   6.0000000  17.0000000  35.0000000   9.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Sat Jul 10 01:31:31 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.580263    0.462073    0.411344
      2         17           0        1.835659   -0.687806   -0.067556
      3         35           0       -1.211307   -0.184780   -0.028129
      4          9           0        0.787779    1.643768   -0.202445
      5          1           0        0.617958    0.593649    1.486907
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  Cl   1.768498   0.000000
     3  Br   1.954809   3.088461   0.000000
     4  F    1.347666   2.559782   2.714833   0.000000
     5  H    1.084237   2.353992   2.499499   1.996372   0.000000
 Stoichiometry    CHBrClF
 Framework group  C1[X(CHBrClF)]
 Deg. of freedom     9
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.580263    0.462073    0.411344
      2         17           0        1.835659   -0.687806   -0.067556
      3         35           0       -1.211307   -0.184780   -0.028129
      4          9           0        0.787779    1.643768   -0.202445
      5          1           0        0.617958    0.593649    1.486907
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           6.4224140           1.9855076           1.5655850
 Leave Link  202 at Sat Jul 10 01:31:31 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       5
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 9 1.00
     Exponent=  1.4710000000D+04 Coefficients=  7.2100000000D-04
     Exponent=  2.2070000000D+03 Coefficients=  5.5530000000D-03
     Exponent=  5.0280000000D+02 Coefficients=  2.8267000000D-02
     Exponent=  1.4260000000D+02 Coefficients=  1.0644400000D-01
     Exponent=  4.6470000000D+01 Coefficients=  2.8681400000D-01
     Exponent=  1.6700000000D+01 Coefficients=  4.4864100000D-01
     Exponent=  6.3560000000D+00 Coefficients=  2.6476100000D-01
     Exponent=  1.3160000000D+00 Coefficients=  1.5333000000D-02
     Exponent=  3.8970000000D-01 Coefficients= -2.3320000000D-03
 S 9 1.00
     Exponent=  1.4710000000D+04 Coefficients= -1.6500000000D-04
     Exponent=  2.2070000000D+03 Coefficients= -1.3080000000D-03
     Exponent=  5.0280000000D+02 Coefficients= -6.4950000000D-03
     Exponent=  1.4260000000D+02 Coefficients= -2.6691000000D-02
     Exponent=  4.6470000000D+01 Coefficients= -7.3690000000D-02
     Exponent=  1.6700000000D+01 Coefficients= -1.7077600000D-01
     Exponent=  6.3560000000D+00 Coefficients= -1.1232700000D-01
     Exponent=  1.3160000000D+00 Coefficients=  5.6281400000D-01
     Exponent=  3.8970000000D-01 Coefficients=  5.6877800000D-01
 S 1 1.00
     Exponent=  3.8970000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.8630000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  2.2670000000D+01 Coefficients=  4.4878000000D-02
     Exponent=  4.9770000000D+00 Coefficients=  2.3571800000D-01
     Exponent=  1.3470000000D+00 Coefficients=  5.0852100000D-01
     Exponent=  3.4710000000D-01 Coefficients=  4.5812000000D-01
 P 1 1.00
     Exponent=  3.4710000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.5020000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6400000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.6400000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 12 1.00
     Exponent=  1.2790000000D+05 Coefficients=  2.4115300000D-04
     Exponent=  1.9170000000D+04 Coefficients=  1.8709500000D-03
     Exponent=  4.3630000000D+03 Coefficients=  9.7082700000D-03
     Exponent=  1.2360000000D+03 Coefficients=  3.9315300000D-02
     Exponent=  4.0360000000D+02 Coefficients=  1.2593200000D-01
     Exponent=  1.4570000000D+02 Coefficients=  2.9934100000D-01
     Exponent=  5.6810000000D+01 Coefficients=  4.2188600000D-01
     Exponent=  2.3230000000D+01 Coefficients=  2.3720100000D-01
     Exponent=  6.6440000000D+00 Coefficients=  1.9153100000D-02
     Exponent=  2.5750000000D+00 Coefficients= -3.3479200000D-03
     Exponent=  5.3710000000D-01 Coefficients=  9.2988300000D-04
     Exponent=  1.9380000000D-01 Coefficients= -3.9637900000D-04
 S 12 1.00
     Exponent=  1.2790000000D+05 Coefficients= -6.7892200000D-05
     Exponent=  1.9170000000D+04 Coefficients= -5.2183600000D-04
     Exponent=  4.3630000000D+03 Coefficients= -2.7651300000D-03
     Exponent=  1.2360000000D+03 Coefficients= -1.1153700000D-02
     Exponent=  4.0360000000D+02 Coefficients= -3.8591900000D-02
     Exponent=  1.4570000000D+02 Coefficients= -9.9484800000D-02
     Exponent=  5.6810000000D+01 Coefficients= -2.0139200000D-01
     Exponent=  2.3230000000D+01 Coefficients= -1.3031300000D-01
     Exponent=  6.6440000000D+00 Coefficients=  5.0944300000D-01
     Exponent=  2.5750000000D+00 Coefficients=  6.1072500000D-01
     Exponent=  5.3710000000D-01 Coefficients=  4.2154900000D-02
     Exponent=  1.9380000000D-01 Coefficients= -9.2342700000D-03
 S 12 1.00
     Exponent=  1.2790000000D+05 Coefficients=  2.0498600000D-05
     Exponent=  1.9170000000D+04 Coefficients=  1.5829800000D-04
     Exponent=  4.3630000000D+03 Coefficients=  8.3363900000D-04
     Exponent=  1.2360000000D+03 Coefficients=  3.3988000000D-03
     Exponent=  4.0360000000D+02 Coefficients=  1.1673800000D-02
     Exponent=  1.4570000000D+02 Coefficients=  3.0962200000D-02
     Exponent=  5.6810000000D+01 Coefficients=  6.2953300000D-02
     Exponent=  2.3230000000D+01 Coefficients=  4.6025700000D-02
     Exponent=  6.6440000000D+00 Coefficients= -2.1931200000D-01
     Exponent=  2.5750000000D+00 Coefficients= -4.0877300000D-01
     Exponent=  5.3710000000D-01 Coefficients=  6.3846500000D-01
     Exponent=  1.9380000000D-01 Coefficients=  5.6236200000D-01
 S 1 1.00
     Exponent=  1.9380000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.0800000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  4.1760000000D+02 Coefficients=  5.2598200000D-03
     Exponent=  9.8330000000D+01 Coefficients=  3.9833200000D-02
     Exponent=  3.1040000000D+01 Coefficients=  1.6465500000D-01
     Exponent=  1.1190000000D+01 Coefficients=  3.8732200000D-01
     Exponent=  4.2490000000D+00 Coefficients=  4.5707200000D-01
     Exponent=  1.6240000000D+00 Coefficients=  1.5163600000D-01
     Exponent=  5.3220000000D-01 Coefficients=  1.8161500000D-03
     Exponent=  1.6200000000D-01 Coefficients=  1.8829600000D-03
 P 8 1.00
     Exponent=  4.1760000000D+02 Coefficients= -1.4357000000D-03
     Exponent=  9.8330000000D+01 Coefficients= -1.0779600000D-02
     Exponent=  3.1040000000D+01 Coefficients= -4.7007500000D-02
     Exponent=  1.1190000000D+01 Coefficients= -1.1103000000D-01
     Exponent=  4.2490000000D+00 Coefficients= -1.5327500000D-01
     Exponent=  1.6240000000D+00 Coefficients=  8.9460900000D-02
     Exponent=  5.3220000000D-01 Coefficients=  5.7944400000D-01
     Exponent=  1.6200000000D-01 Coefficients=  4.8327200000D-01
 P 1 1.00
     Exponent=  1.6200000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.6600000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.9600000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients=  1.9840000000D-04
     Exponent=  9.5938000000D+04 Coefficients=  1.5400000000D-03
     Exponent=  2.1833000000D+04 Coefficients=  8.0096000000D-03
     Exponent=  6.1819000000D+03 Coefficients=  3.2734100000D-02
     Exponent=  2.0157000000D+03 Coefficients=  1.0744800000D-01
     Exponent=  7.2710000000D+02 Coefficients=  2.6889460000D-01
     Exponent=  2.8328000000D+02 Coefficients=  4.2044110000D-01
     Exponent=  1.1591000000D+02 Coefficients=  2.8380410000D-01
     Exponent=  3.6124000000D+01 Coefficients=  3.1545500000D-02
     Exponent=  1.5532000000D+01 Coefficients= -7.4268000000D-03
     Exponent=  4.7857000000D+00 Coefficients=  2.7728000000D-03
     Exponent=  2.0817000000D+00 Coefficients= -1.3635000000D-03
     Exponent=  4.2028000000D-01 Coefficients=  3.8120000000D-04
     Exponent=  1.6069000000D-01 Coefficients= -1.6150000000D-04
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients= -6.2500000000D-05
     Exponent=  9.5938000000D+04 Coefficients= -4.8160000000D-04
     Exponent=  2.1833000000D+04 Coefficients= -2.5466000000D-03
     Exponent=  6.1819000000D+03 Coefficients= -1.0411200000D-02
     Exponent=  2.0157000000D+03 Coefficients= -3.6517900000D-02
     Exponent=  7.2710000000D+02 Coefficients= -9.9629500000D-02
     Exponent=  2.8328000000D+02 Coefficients= -2.1413100000D-01
     Exponent=  1.1591000000D+02 Coefficients= -1.8609110000D-01
     Exponent=  3.6124000000D+01 Coefficients=  4.6282610000D-01
     Exponent=  1.5532000000D+01 Coefficients=  6.4411410000D-01
     Exponent=  4.7857000000D+00 Coefficients=  8.2550200000D-02
     Exponent=  2.0817000000D+00 Coefficients= -1.4969400000D-02
     Exponent=  4.2028000000D-01 Coefficients=  3.5288000000D-03
     Exponent=  1.6069000000D-01 Coefficients= -1.4909000000D-03
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients=  2.4800000000D-05
     Exponent=  9.5938000000D+04 Coefficients=  1.9190000000D-04
     Exponent=  2.1833000000D+04 Coefficients=  1.0100000000D-03
     Exponent=  6.1819000000D+03 Coefficients=  4.1659000000D-03
     Exponent=  2.0157000000D+03 Coefficients=  1.4568300000D-02
     Exponent=  7.2710000000D+02 Coefficients=  4.0834500000D-02
     Exponent=  2.8328000000D+02 Coefficients=  8.9485900000D-02
     Exponent=  1.1591000000D+02 Coefficients=  8.7278600000D-02
     Exponent=  3.6124000000D+01 Coefficients= -2.9336440000D-01
     Exponent=  1.5532000000D+01 Coefficients= -5.6671090000D-01
     Exponent=  4.7857000000D+00 Coefficients=  5.1056580000D-01
     Exponent=  2.0817000000D+00 Coefficients=  7.4772140000D-01
     Exponent=  4.2028000000D-01 Coefficients=  4.2151200000D-02
     Exponent=  1.6069000000D-01 Coefficients= -1.0661200000D-02
 S 14 1.00
     Exponent=  6.4010000000D+05 Coefficients= -7.6000000000D-06
     Exponent=  9.5938000000D+04 Coefficients= -5.8800000000D-05
     Exponent=  2.1833000000D+04 Coefficients= -3.0920000000D-04
     Exponent=  6.1819000000D+03 Coefficients= -1.2766000000D-03
     Exponent=  2.0157000000D+03 Coefficients= -4.4634000000D-03
     Exponent=  7.2710000000D+02 Coefficients= -1.2557500000D-02
     Exponent=  2.8328000000D+02 Coefficients= -2.7614500000D-02
     Exponent=  1.1591000000D+02 Coefficients= -2.7394500000D-02
     Exponent=  3.6124000000D+01 Coefficients=  9.6409400000D-02
     Exponent=  1.5532000000D+01 Coefficients=  1.9768710000D-01
     Exponent=  4.7857000000D+00 Coefficients= -2.2666930000D-01
     Exponent=  2.0817000000D+00 Coefficients= -5.2411650000D-01
     Exponent=  4.2028000000D-01 Coefficients=  6.8898650000D-01
     Exponent=  1.6069000000D-01 Coefficients=  5.3443310000D-01
 S 1 1.00
     Exponent=  1.6069000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.6946000000D-02 Coefficients=  1.0000000000D+00
 P 11 1.00
     Exponent=  4.3408000000D+03 Coefficients=  1.4448000000D-03
     Exponent=  1.0289000000D+03 Coefficients=  1.2128800000D-02
     Exponent=  3.3202000000D+02 Coefficients=  6.0807700000D-02
     Exponent=  1.2516000000D+02 Coefficients=  2.0093580000D-01
     Exponent=  5.1511000000D+01 Coefficients=  4.0474190000D-01
     Exponent=  2.2281000000D+01 Coefficients=  3.9571510000D-01
     Exponent=  9.3417000000D+00 Coefficients=  1.1022130000D-01
     Exponent=  4.0132000000D+00 Coefficients= -9.0900000000D-04
     Exponent=  1.7002000000D+00 Coefficients=  2.4832000000D-03
     Exponent=  4.7194000000D-01 Coefficients= -5.7440000000D-04
     Exponent=  1.4421000000D-01 Coefficients=  1.6910000000D-04
 P 11 1.00
     Exponent=  4.3408000000D+03 Coefficients= -5.8190000000D-04
     Exponent=  1.0289000000D+03 Coefficients= -4.9065000000D-03
     Exponent=  3.3202000000D+02 Coefficients= -2.5251400000D-02
     Exponent=  1.2516000000D+02 Coefficients= -8.6944500000D-02
     Exponent=  5.1511000000D+01 Coefficients= -1.8934220000D-01
     Exponent=  2.2281000000D+01 Coefficients= -1.7108820000D-01
     Exponent=  9.3417000000D+00 Coefficients=  2.3687550000D-01
     Exponent=  4.0132000000D+00 Coefficients=  5.8984000000D-01
     Exponent=  1.7002000000D+00 Coefficients=  3.1719440000D-01
     Exponent=  4.7194000000D-01 Coefficients=  1.7983300000D-02
     Exponent=  1.4421000000D-01 Coefficients= -1.4683000000D-03
 P 11 1.00
     Exponent=  4.3408000000D+03 Coefficients=  1.5180000000D-04
     Exponent=  1.0289000000D+03 Coefficients=  1.2563000000D-03
     Exponent=  3.3202000000D+02 Coefficients=  6.6224000000D-03
     Exponent=  1.2516000000D+02 Coefficients=  2.2381600000D-02
     Exponent=  5.1511000000D+01 Coefficients=  5.0971700000D-02
     Exponent=  2.2281000000D+01 Coefficients=  4.1400900000D-02
     Exponent=  9.3417000000D+00 Coefficients= -7.0397000000D-02
     Exponent=  4.0132000000D+00 Coefficients= -2.2325400000D-01
     Exponent=  1.7002000000D+00 Coefficients= -5.6417900000D-02
     Exponent=  4.7194000000D-01 Coefficients=  5.8080790000D-01
     Exponent=  1.4421000000D-01 Coefficients=  5.5081320000D-01
 P 1 1.00
     Exponent=  1.4421000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.1049000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.0483000000D+02 Coefficients=  2.2658300000D-02
     Exponent=  3.0272000000D+01 Coefficients=  1.3458950000D-01
     Exponent=  1.0649000000D+01 Coefficients=  3.6471810000D-01
     Exponent=  3.8696000000D+00 Coefficients=  4.9041960000D-01
     Exponent=  1.3239000000D+00 Coefficients=  2.7138850000D-01
 D 1 1.00
     Exponent=  4.0980000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7190000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 222 were deleted.
 There are   127 symmetry adapted cartesian basis functions of A   symmetry.
 There are   118 symmetry adapted basis functions of A   symmetry.
   118 basis functions,   344 primitive gaussians,   127 cartesian basis functions
    34 alpha electrons       34 beta electrons
       nuclear repulsion energy       320.0949798637 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=    5 NActive=    5 NUniq=    5 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0076668790 Hartrees.
 Nuclear repulsion after empirical dispersion term =      320.0873129847 Hartrees.
 Leave Link  301 at Sat Jul 10 01:31:33 2021, MaxMem=  6442450944 cpu:              10.7 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   118 RedAO= T EigKep=  5.62D-04  NBF=   118
 NBsUse=   118 1.00D-06 EigRej= -1.00D+00 NBFU=   118
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   127   127   127   127   127 MxSgAt=     5 MxSgA2=     5.
 Leave Link  302 at Sat Jul 10 01:31:33 2021, MaxMem=  6442450944 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sat Jul 10 01:31:33 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "04_BrClFmethane_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sat Jul 10 01:31:33 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Keep R1 ints in memory in canonical form, NReq=32253992.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=   7021 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6417765684 LenY=  6417749114
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.

 Cycle   1  Pass 1  IDiag  1:
 E= -3172.93781510630    
 DIIS: error= 1.33D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3172.93781510630     IErMin= 1 ErrMin= 1.33D-02
 ErrMax= 1.33D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.82D-03 BMatP= 8.82D-03
 IDIUse=3 WtCom= 8.67D-01 WtEn= 1.33D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.258 Goal=   None    Shift=    0.000
 GapD=    0.258 DampG=1.000 DampE=0.500 DampFc=0.5000 IDamp=-1.
 Damping current iteration by 5.00D-01
 RMSDP=3.88D-03 MaxDP=1.05D-01              OVMax= 1.10D-02

 Cycle   2  Pass 1  IDiag  1:
 E= -3172.93920117726     Delta-E=       -0.001386070960 Rises=F Damp=T
 DIIS: error= 6.70D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -3172.93920117726     IErMin= 2 ErrMin= 6.70D-03
 ErrMax= 6.70D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.20D-03 BMatP= 8.82D-03
 IDIUse=3 WtCom= 9.33D-01 WtEn= 6.70D-02
 Coeff-Com: -0.907D+00 0.191D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.846D+00 0.185D+01
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=2.08D-03 MaxDP=5.61D-02 DE=-1.39D-03 OVMax= 5.88D-03

 Cycle   3  Pass 1  IDiag  1:
 E= -3172.94033986998     Delta-E=       -0.001138692717 Rises=F Damp=F
 DIIS: error= 1.45D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -3172.94033986998     IErMin= 3 ErrMin= 1.45D-03
 ErrMax= 1.45D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.13D-04 BMatP= 2.20D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.45D-02
 Coeff-Com: -0.579D+00 0.115D+01 0.425D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.570D+00 0.114D+01 0.433D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=1.88D-04 MaxDP=8.94D-03 DE=-1.14D-03 OVMax= 4.17D-03

 Cycle   4  Pass 1  IDiag  1:
 E= -3172.94067153970     Delta-E=       -0.000331669723 Rises=F Damp=F
 DIIS: error= 9.25D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -3172.94067153970     IErMin= 4 ErrMin= 9.25D-05
 ErrMax= 9.25D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.13D-06 BMatP= 5.13D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.180D+00 0.357D+00 0.170D+00 0.653D+00
 Coeff:     -0.180D+00 0.357D+00 0.170D+00 0.653D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=1.67D-05 MaxDP=5.15D-04 DE=-3.32D-04 OVMax= 4.27D-04

 Cycle   5  Pass 1  IDiag  1:
 E= -3172.94067410724     Delta-E=       -0.000002567539 Rises=F Damp=F
 DIIS: error= 1.22D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -3172.94067410724     IErMin= 5 ErrMin= 1.22D-05
 ErrMax= 1.22D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.83D-08 BMatP= 3.13D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.162D-01 0.318D-01 0.263D-01 0.208D+00 0.750D+00
 Coeff:     -0.162D-01 0.318D-01 0.263D-01 0.208D+00 0.750D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=2.97D-06 MaxDP=7.25D-05 DE=-2.57D-06 OVMax= 7.68D-05

 Cycle   6  Pass 1  IDiag  1:
 E= -3172.94067418882     Delta-E=       -0.000000081584 Rises=F Damp=F
 DIIS: error= 2.75D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -3172.94067418882     IErMin= 6 ErrMin= 2.75D-06
 ErrMax= 2.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.86D-09 BMatP= 7.83D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.860D-03-0.179D-02 0.225D-02 0.377D-01 0.204D+00 0.757D+00
 Coeff:      0.860D-03-0.179D-02 0.225D-02 0.377D-01 0.204D+00 0.757D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=6.76D-07 MaxDP=1.47D-05 DE=-8.16D-08 OVMax= 2.42D-05

 Cycle   7  Pass 1  IDiag  1:
 E= -3172.94067419080     Delta-E=       -0.000000001979 Rises=F Damp=F
 DIIS: error= 1.70D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -3172.94067419080     IErMin= 7 ErrMin= 1.70D-06
 ErrMax= 1.70D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.77D-10 BMatP= 1.86D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.129D-02-0.257D-02-0.294D-03 0.821D-02 0.601D-01 0.364D+00
 Coeff-Com:  0.570D+00
 Coeff:      0.129D-02-0.257D-02-0.294D-03 0.821D-02 0.601D-01 0.364D+00
 Coeff:      0.570D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=2.39D-07 MaxDP=5.05D-06 DE=-1.98D-09 OVMax= 7.12D-06

 Cycle   8  Pass 1  IDiag  1:
 E= -3172.94067419124     Delta-E=       -0.000000000439 Rises=F Damp=F
 DIIS: error= 2.11D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -3172.94067419124     IErMin= 8 ErrMin= 2.11D-07
 ErrMax= 2.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-11 BMatP= 3.77D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.496D-03-0.989D-03-0.295D-03 0.849D-03 0.124D-01 0.124D+00
 Coeff-Com:  0.247D+00 0.616D+00
 Coeff:      0.496D-03-0.989D-03-0.295D-03 0.849D-03 0.124D-01 0.124D+00
 Coeff:      0.247D+00 0.616D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=6.32D-08 MaxDP=2.67D-06 DE=-4.39D-10 OVMax= 1.93D-06

 Cycle   9  Pass 1  IDiag  1:
 E= -3172.94067419128     Delta-E=       -0.000000000042 Rises=F Damp=F
 DIIS: error= 1.25D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -3172.94067419128     IErMin= 9 ErrMin= 1.25D-07
 ErrMax= 1.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.19D-12 BMatP= 1.74D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.161D-03-0.320D-03-0.137D-03-0.292D-03 0.134D-02 0.332D-01
 Coeff-Com:  0.757D-01 0.366D+00 0.524D+00
 Coeff:      0.161D-03-0.320D-03-0.137D-03-0.292D-03 0.134D-02 0.332D-01
 Coeff:      0.757D-01 0.366D+00 0.524D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=2.37D-08 MaxDP=1.09D-06 DE=-4.18D-11 OVMax= 6.07D-07

 Cycle  10  Pass 1  IDiag  1:
 E= -3172.94067419127     Delta-E=        0.000000000016 Rises=F Damp=F
 DIIS: error= 2.34D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -3172.94067419128     IErMin=10 ErrMin= 2.34D-08
 ErrMax= 2.34D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.24D-13 BMatP= 4.19D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.139D-05 0.313D-05-0.179D-04-0.297D-03-0.135D-02-0.287D-02
 Coeff-Com: -0.114D-02 0.961D-01 0.236D+00 0.673D+00
 Coeff:     -0.139D-05 0.313D-05-0.179D-04-0.297D-03-0.135D-02-0.287D-02
 Coeff:     -0.114D-02 0.961D-01 0.236D+00 0.673D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=6.46D-09 MaxDP=1.66D-07 DE= 1.64D-11 OVMax= 1.98D-07

 SCF Done:  E(RB3LYP) =  -3172.94067419     A.U. after   10 cycles
            NFock= 10  Conv=0.65D-08     -V/T= 2.0017
 KE= 3.167544627893D+03 PE=-8.212959113483D+03 EE= 1.552386498414D+03
 Leave Link  502 at Sat Jul 10 01:31:37 2021, MaxMem=  6442450944 cpu:              26.1 elap:               3.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   118
 NBasis=   118 NAE=    34 NBE=    34 NFC=     0 NFV=     0
 NROrb=    118 NOA=    34 NOB=    34 NVA=    84 NVB=    84

 **** Warning!!: The largest alpha MO coefficient is  0.10940910D+02

 Leave Link  801 at Sat Jul 10 01:31:37 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         1505 words used for storage of precomputed grid.
 Keep R1 and R3 ints in memory in canonical form, NReq=59831325.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=   7021 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=       0.
          Doing perturbations at frequencies    0.088559
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.76D-14 8.33D-09 XBig12= 1.00D+00 5.36D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.76D-14 8.33D-09 XBig12= 2.67D-01 1.36D-01.
     11 vectors produced by pass  2 Test12= 4.76D-14 8.33D-09 XBig12= 1.77D-02 2.62D-02.
     11 vectors produced by pass  3 Test12= 4.76D-14 8.33D-09 XBig12= 4.11D-04 3.69D-03.
     11 vectors produced by pass  4 Test12= 4.76D-14 8.33D-09 XBig12= 5.00D-06 6.52D-04.
     11 vectors produced by pass  5 Test12= 4.76D-14 8.33D-09 XBig12= 3.63D-08 4.32D-05.
     11 vectors produced by pass  6 Test12= 4.76D-14 8.33D-09 XBig12= 1.81D-10 2.65D-06.
      8 vectors produced by pass  7 Test12= 4.76D-14 8.33D-09 XBig12= 7.39D-13 1.48D-07.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension    85 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.683118D+02
      2 -0.153714D+01  0.476723D+02
      3  0.413900D+00  0.113996D+01  0.419091D+02
 Isotropic polarizability for W=    0.088559       52.63 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.244789D+02 -0.195685D+02 -0.922651D+01
      2  -0.570767D+01  0.753739D+01 -0.460614D+01
      3  -0.187712D+02  0.120311D+02  0.138326D+02
      4  -0.341012D+02  0.304021D+02  0.198268D+01
      5   0.339514D+00  0.152206D+01  0.139184D+02
      6   0.114986D+01  0.993371D+00 -0.504990D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.803291D+00  0.536729D+01  0.601062D+01
      2  -0.164321D+02  0.129411D+01  0.499592D+01
      3   0.860736D+01 -0.100792D+02 -0.478954D+00
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.460624D+00  0.559951D+01  0.170810D+02
      2  -0.956602D+01  0.832819D+00  0.326896D+02
      3  -0.145327D+02 -0.361098D+02 -0.372195D+00
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.292420D+00  0.227039D+01 -0.333596D+01
      2   0.227039D+01 -0.432918D+00  0.843294D+00
      3  -0.333596D+01  0.843294D+00  0.152359D+00
 OR G Eigenvalues:    -4.3750     0.5318     3.8551  Iso=    -0.0040
 Eigenvectors:
   (1)   0.651411  -0.497682   0.572691
   (2)   0.145480   0.822733   0.549497
   (3)   0.744647   0.274633  -0.608341
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0040 au.
 Molar Mass =    147.3743 grams/mole, [Alpha] ( 5145.0 A) =       -1.36 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=    7021 ScalPx= 5.75D+00
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=    7021 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 6.95D+01
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.93D-15 2.78D-09 XBig12= 1.00D+00 4.51D-01.
     30 vectors produced by pass  1 Test12= 7.93D-15 2.78D-09 XBig12= 3.16D-02 4.98D-02.
     30 vectors produced by pass  2 Test12= 7.93D-15 2.78D-09 XBig12= 1.19D-03 8.24D-03.
     30 vectors produced by pass  3 Test12= 7.93D-15 2.78D-09 XBig12= 6.78D-06 4.18D-04.
     30 vectors produced by pass  4 Test12= 7.93D-15 2.78D-09 XBig12= 1.08D-08 1.56D-05.
     30 vectors produced by pass  5 Test12= 7.93D-15 2.78D-09 XBig12= 1.12D-11 3.72D-07.
      1 vectors produced by pass  6 Test12= 7.93D-15 2.78D-09 XBig12= 7.19D-15 1.19D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   181 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=    7021 ScalPx= 1.51D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=    7021 ScalPx= 1.51D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=    7021 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.09D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.683118D+02 -0.153714D+01  0.413900D+00
      2  -0.153714D+01  0.476723D+02  0.113996D+01
      3   0.413900D+00  0.113996D+01  0.419091D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.803291D+00  0.536729D+01  0.601062D+01
      2  -0.164321D+02  0.129411D+01  0.499592D+01
      3   0.860736D+01 -0.100792D+02 -0.478954D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.244789D+02 -0.195685D+02 -0.922651D+01
      2  -0.570767D+01  0.753739D+01 -0.460614D+01
      3  -0.187712D+02  0.120311D+02  0.138326D+02
      4  -0.341012D+02  0.304021D+02  0.198268D+01
      5   0.339514D+00  0.152206D+01  0.139184D+02
      6   0.114986D+01  0.993371D+00 -0.504990D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    15 ND12= 1 LenFil=     543:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.105094D+02  0.458254D+01  0.192124D+01  0.832506D+01 -0.126456D+01
      2   0.458254D+01  0.648553D-01 -0.113926D-01 -0.126456D+01  0.192924D+01
      3   0.192124D+01 -0.113926D-01  0.146445D+01  0.945477D-01  0.126205D+01
                 6             7             8             9            10 
      1   0.945477D-01  0.267854D+01 -0.292401D+00 -0.533329D+00  0.120377D+02
      2   0.126205D+01 -0.292401D+00  0.173868D+01 -0.173732D+01 -0.364271D+01
      3   0.201965D+01 -0.533329D+00 -0.173732D+01 -0.478671D+01 -0.852152D+00
                11            12            13            14            15 
      1  -0.364271D+01 -0.852152D+00 -0.359033D+01  0.593485D+01  0.354355D+00
      2   0.307680D+01  0.232424D+00  0.593485D+01 -0.663363D+01 -0.724847D+00
      3   0.232424D+00  0.143134D+01  0.354355D+00 -0.724847D+00 -0.110068D+01
                16            17            18            19            20 
      1  -0.159363D+01  0.340926D+00  0.436811D+01 -0.226889D+02 -0.232456D+01
      2   0.340926D+00 -0.105829D+01 -0.203510D+01 -0.232456D+01 -0.382845D+01
      3   0.436811D+01 -0.203510D+01 -0.139531D+01 -0.128382D+01 -0.163202D+00
                21            22            23            24            25 
      1  -0.128382D+01 -0.433038D+01 -0.612909D+01 -0.258929D+00 -0.268645D+01
      2  -0.163202D+00 -0.612909D+01 -0.272821D+01 -0.556445D+00 -0.146517D+00
      3  -0.267279D+01 -0.258929D+00 -0.556445D+00 -0.730585D+00 -0.563884D+01
                26            27            28            29            30 
      1  -0.146517D+00 -0.563884D+01  0.689968D+00  0.176461D+01 -0.353635D+00
      2  -0.911245D+00 -0.779382D+00  0.176461D+01  0.522456D+00 -0.171919D+00
      3  -0.779382D+00 -0.150101D+01 -0.353635D+00 -0.171919D+00 -0.284610D+00
                31            32            33            34            35 
      1   0.181184D-01  0.972084D+00 -0.355301D+00 -0.577673D+00 -0.153964D+00
      2   0.972084D+00  0.645527D+01 -0.125023D+01 -0.153964D+00 -0.150592D+01
      3  -0.355301D+00 -0.125023D+01 -0.858859D+00  0.631172D+00  0.222479D+01
                36            37            38            39            40 
      1   0.631172D+00 -0.548059D+00 -0.379876D+00  0.568368D+00 -0.422459D+00
      2   0.222479D+01 -0.379876D+00  0.164341D+00  0.114090D+00  0.486725D+00
      3  -0.277986D+00  0.568368D+00  0.114090D+00  0.616090D-01  0.165328D+00
                41            42            43            44            45 
      1   0.486725D+00  0.165328D+00  0.217922D+01  0.251955D+00  0.117289D+01
      2   0.977325D+00  0.126947D+01  0.251955D+00  0.173678D+01  0.232702D+01
      3   0.126947D+01  0.670475D+00  0.117289D+01  0.232702D+01  0.796102D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.409534D+01 -0.743930D+00 -0.601325D+00 -0.204553D+01 -0.116614D+01
      2  -0.671257D+01 -0.224887D+01 -0.867700D+01 -0.596029D+01  0.174227D+01
      3   0.370783D+01  0.193538D+01 -0.593765D+00  0.194348D+02 -0.140851D+01
                 6             7             8             9            10 
      1   0.610076D+00 -0.503952D+00  0.890362D+01  0.109575D+01 -0.182751D+01
      2   0.100092D+01 -0.245699D+02  0.180488D+00 -0.162500D+01 -0.703730D+01
      3  -0.192643D+00  0.259776D+01 -0.171779D+01  0.694236D+00  0.670781D+01
                11            12            13            14            15 
      1   0.135868D+01  0.159605D+01  0.288332D+01 -0.256627D+01 -0.685283D+01
      2   0.273750D+01  0.117709D+02  0.231708D+01 -0.384244D+01 -0.344133D+01
      3  -0.128695D+02 -0.269100D+00 -0.289834D-01  0.879724D+01  0.394201D+00
                16            17            18            19            20 
      1  -0.170700D+01  0.584961D+01 -0.102137D+01 -0.755801D+00 -0.127743D+01
      2  -0.873708D+00 -0.181753D+01 -0.413531D+01  0.141021D+02  0.948418D+00
      3   0.496901D-02  0.131216D+01  0.328845D+01 -0.121548D+02 -0.985592D+01
                21            22            23            24            25 
      1  -0.550772D-01 -0.206890D+01 -0.774641D+00 -0.912347D+01  0.224488D+01
      2   0.128937D+02  0.259847D+01  0.288861D+01  0.748232D+00 -0.791813D+01
      3  -0.813601D-01  0.734470D+01 -0.211857D+01  0.122196D+00 -0.123530D+01
                26            27            28            29            30 
      1   0.859248D+01 -0.403336D-01 -0.871997D+00  0.237163D+00 -0.954420D+00
      2  -0.141732D+00  0.307513D+01  0.531319D+00 -0.713752D+00  0.288847D+01
      3  -0.153437D-01 -0.209806D+01  0.197070D+01 -0.100496D+01  0.287895D+00
                31            32            33            34            35 
      1   0.444720D+00  0.300997D+01 -0.555511D+01 -0.241296D+00 -0.141206D+01
      2   0.118339D+01 -0.112085D+01  0.146149D+01  0.197446D+01  0.136079D+01
      3   0.756887D+01 -0.550617D+01  0.542269D+00 -0.315417D+01  0.150941D+01
                36            37            38            39            40 
      1   0.319419D+01 -0.640029D+00  0.425524D+00  0.147670D-01  0.579515D+00
      2  -0.130049D+01 -0.676633D+00 -0.153282D+00  0.207842D+01 -0.138650D+00
      3  -0.115700D+01  0.537309D+00 -0.204121D+01  0.860799D-01 -0.163239D+00
                41            42            43            44            45 
      1   0.927087D+00 -0.331332D-01 -0.561463D+00  0.190252D+01 -0.265799D+01
      2   0.332406D+00  0.230689D+00 -0.276881D+01  0.118636D+01  0.377856D+01
      3  -0.532380D+00 -0.658924D+00  0.178674D+01 -0.108843D+01 -0.727621D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.343815D+02  0.355281D+01  0.192441D+00  0.678589D+01 -0.288032D+00
      2   0.200297D+02 -0.643053D+00  0.392128D+00 -0.270146D+01 -0.704289D+01
      3   0.143518D+02 -0.290976D+01 -0.584569D+00 -0.408443D+01  0.733092D+01
      4   0.295797D+01 -0.224630D+02 -0.121570D+01 -0.111180D+02  0.275477D+01
      5   0.104252D+01 -0.615401D-01 -0.174758D+02 -0.619028D+00  0.147541D+01
      6   0.212432D+01  0.501447D+00  0.134614D+01  0.547191D+00  0.183225D+01
                 6             7             8             9            10 
      1  -0.287304D+01  0.303985D+01  0.229348D+00  0.919488D+01  0.612559D+02
      2   0.363723D+01  0.652571D+00  0.497273D+01  0.294832D+01 -0.302126D+02
      3  -0.764196D+00 -0.369242D+01 -0.520208D+01 -0.121432D+02 -0.310433D+02
      4   0.249803D+01 -0.266380D+01  0.349028D+01 -0.263086D+01 -0.228138D+02
      5   0.230965D+01  0.135608D+01 -0.187950D+01 -0.534954D+01 -0.357903D+01
      6  -0.419273D+01 -0.354584D+00 -0.259681D+00 -0.666484D+01 -0.438449D+00
                11            12            13            14            15 
      1  -0.126728D+02 -0.335587D+01 -0.931314D+01  0.635653D+00  0.321205D+00
      2   0.348037D+01  0.145898D+01 -0.298515D+01  0.159542D+02  0.465900D+00
      3   0.919244D+01  0.189689D+01  0.122983D+02 -0.165899D+02 -0.787106D+00
      4   0.281512D+02  0.160439D+01  0.360080D+02 -0.271681D+02 -0.320124D+01
      5   0.810310D+00  0.209613D+02  0.232859D+00 -0.181161D+01 -0.669888D+01
      6  -0.901646D+00 -0.347983D+01 -0.585050D+00  0.724731D+00  0.140912D+02
                16            17            18            19            20 
      1  -0.464809D+01  0.110841D+01  0.102756D+00  0.597063D+02  0.497087D+01
      2   0.300106D+01  0.165152D+00 -0.113059D+02 -0.335534D+02 -0.261549D+01
      3   0.164703D+01 -0.127356D+01  0.112031D+02 -0.261529D+02 -0.235539D+01
      4   0.235622D+01 -0.414325D+01 -0.767978D+01  0.116284D+02  0.249058D+02
      5   0.280787D+02 -0.812640D+01 -0.557846D+01  0.190130D+01  0.166369D+00
      6  -0.653634D+01  0.137579D+02  0.825409D+00 -0.149653D+01  0.586207D+00
                21            22            23            24            25 
      1   0.320683D+01  0.390335D+01 -0.863520D+01  0.682648D+00  0.309313D+01
      2  -0.122040D+01 -0.704984D+00  0.196914D+02 -0.276905D+00 -0.224123D+01
      3  -0.198643D+01 -0.319837D+01 -0.110562D+02 -0.405743D+00 -0.851905D+00
      4   0.784116D+00  0.340125D+02  0.641453D+01  0.138988D+01  0.143213D+01
      5   0.258992D+02 -0.157923D+00  0.182800D+00  0.233855D+01  0.311594D+02
      6   0.963671D+00  0.202826D+00 -0.552693D+00  0.178761D+02  0.156351D+01
                26            27            28            29            30 
      1   0.920737D+00 -0.102656D+02  0.179534D+01  0.226335D+01 -0.507938D+00
      2  -0.259570D+00 -0.139404D+02  0.199672D+01  0.102403D+01  0.337041D+00
      3  -0.661167D+00  0.242060D+02 -0.379207D+01 -0.328738D+01  0.170896D+00
      4   0.139298D+01  0.208016D+01  0.633157D+01  0.126627D+02 -0.223568D+01
      5   0.172391D+01  0.216111D+01 -0.125618D+01 -0.189327D+01  0.462064D+01
      6   0.171268D+02 -0.880849D+00 -0.196249D+01 -0.335311D+00  0.802784D+00
                31            32            33            34            35 
      1   0.502250D+00 -0.186377D+02  0.425849D+01 -0.989717D+00  0.394227D+01
      2   0.380558D+01  0.331085D+02 -0.335498D+01  0.260949D+00 -0.569342D+01
      3  -0.430783D+01 -0.144708D+02 -0.903512D+00  0.728768D+00  0.175115D+01
      4   0.689423D+01  0.150872D+02 -0.215333D+01 -0.189923D+01 -0.365888D+01
      5  -0.602876D+00 -0.149969D+01  0.998463D+00  0.322452D+01  0.360149D+01
      6  -0.572410D+00 -0.490769D+01  0.719470D+01  0.211025D+01  0.101373D+02
                36            37            38            39            40 
      1  -0.686690D+01  0.270639D+01 -0.163741D+00  0.101640D+01 -0.853603D+00
      2   0.443228D+01 -0.380165D+01 -0.221104D+00 -0.124368D+01  0.536507D+00
      3   0.243462D+01  0.109526D+01  0.384846D+00  0.227278D+00  0.317095D+00
      4   0.436567D+01  0.358741D+00  0.441553D+01  0.220283D+01  0.251510D+01
      5  -0.174659D+01  0.230529D+01  0.211809D+01  0.790369D+01  0.114697D+01
      6  -0.450289D+01  0.177315D+01  0.149303D+00  0.367236D+00  0.821343D+00
                41            42            43            44            45 
      1  -0.485622D+01 -0.314928D+01 -0.771104D+00 -0.696073D+01 -0.201045D+02
      2   0.185181D+01  0.104870D+01 -0.194929D+01  0.551341D-01 -0.100737D+02
      3   0.300441D+01  0.210059D+01  0.272039D+01  0.690560D+01  0.301782D+02
      4   0.137448D+01  0.188056D+01  0.774675D+00  0.291888D+01  0.386480D+01
      5   0.165309D+01  0.105222D+01  0.449315D+01  0.314337D+01  0.109274D+02
      6   0.404337D+01  0.693985D+01  0.168003D+01  0.690989D+01  0.123631D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Jul 10 01:32:13 2021, MaxMem=  6442450944 cpu:             285.7 elap:              35.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -482.90365-101.57790 -62.55534 -56.37244 -56.36875
 Alpha  occ. eigenvalues --  -56.36870 -24.76058 -10.39471  -9.49590  -8.73656
 Alpha  occ. eigenvalues --   -7.25868  -7.24842  -7.24824  -6.56704  -6.55368
 Alpha  occ. eigenvalues --   -6.55351  -2.67726  -2.67353  -2.67340  -2.66276
 Alpha  occ. eigenvalues --   -2.66276  -1.27863  -0.90329  -0.81588  -0.68876
 Alpha  occ. eigenvalues --   -0.57641  -0.53473  -0.52470  -0.42198  -0.40711
 Alpha  occ. eigenvalues --   -0.35585  -0.33846  -0.31595  -0.30930
 Alpha virt. eigenvalues --   -0.05761  -0.01118  -0.00395   0.03004   0.03368
 Alpha virt. eigenvalues --    0.04135   0.06391   0.07857   0.08097   0.09054
 Alpha virt. eigenvalues --    0.09312   0.10398   0.11381   0.11920   0.16039
 Alpha virt. eigenvalues --    0.18910   0.19369   0.21076   0.23736   0.24232
 Alpha virt. eigenvalues --    0.25776   0.26980   0.29003   0.29534   0.31239
 Alpha virt. eigenvalues --    0.34646   0.35936   0.36218   0.37286   0.41691
 Alpha virt. eigenvalues --    0.41929   0.45652   0.48742   0.49829   0.53387
 Alpha virt. eigenvalues --    0.54315   0.60326   0.63179   0.64456   0.69050
 Alpha virt. eigenvalues --    0.72112   0.73093   0.74091   0.76169   0.80436
 Alpha virt. eigenvalues --    0.82023   0.90993   0.96147   0.97947   0.99302
 Alpha virt. eigenvalues --    0.99659   1.02987   1.04515   1.08427   1.12297
 Alpha virt. eigenvalues --    1.13525   1.14719   1.16039   1.17628   1.22269
 Alpha virt. eigenvalues --    1.23913   1.33250   1.37539   1.38871   1.43966
 Alpha virt. eigenvalues --    1.51995   1.55921   1.61281   1.62819   1.74690
 Alpha virt. eigenvalues --    1.77542   1.87556   1.93623   2.00877   2.04525
 Alpha virt. eigenvalues --    2.13915   2.24802   2.48057   3.13171   4.49812
 Alpha virt. eigenvalues --    4.50326   4.58892   4.59712   4.60900
          Condensed to atoms (all electrons):
               1          2          3          4          5
     1  C    5.126932   0.220781   0.158449   0.026844   0.251102
     2  Cl   0.220781  17.001598  -0.072177  -0.022988  -0.120565
     3  Br   0.158449  -0.072177  34.778847  -0.032087  -0.107559
     4  F    0.026844  -0.022988  -0.032087   9.401827  -0.044246
     5  H    0.251102  -0.120565  -0.107559  -0.044246   1.175689
 Mulliken charges:
               1
     1  C    0.215892
     2  Cl  -0.006648
     3  Br   0.274527
     4  F   -0.329350
     5  H   -0.154421
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.061471
     2  Cl  -0.006648
     3  Br   0.274527
     4  F   -0.329350
 Electronic spatial extent (au):  <R**2>=            649.0822
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0613    Y=             -0.0543    Z=              1.2254  Tot=              1.2282
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -41.9116   YY=            -43.5166   ZZ=            -40.6416
   XY=             -0.0341   XZ=              1.0898   YZ=              1.4766
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.1117   YY=             -1.4933   ZZ=              1.3817
   XY=             -0.0341   XZ=              1.0898   YZ=              1.4766
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -29.0095  YYY=              0.4497  ZZZ=              0.8379  XYY=             -8.1230
  XXY=             -2.8959  XXZ=             -2.8814  XZZ=             -6.8619  YZZ=              2.6934
  YYZ=             -0.5087  XYZ=              1.1950
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -475.2366 YYYY=           -177.6448 ZZZZ=            -58.4863 XXXY=              8.2341
 XXXZ=             -0.7359 YYYX=              7.1908 YYYZ=             -0.3659 ZZZX=              2.0125
 ZZZY=              0.4743 XXYY=           -107.2313 XXZZ=            -93.4050 YYZZ=            -38.8469
 XXYZ=              2.8298 YYXZ=             -0.5186 ZZXY=              4.8648
 N-N= 3.200873129847D+02 E-N=-8.212959105699D+03  KE= 3.167544627893D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Jul 10 01:32:13 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.05291525D-02-2.55286268D-02 4.79815606D-01
 Polarizability= 5.98927256D+01-1.54519883D+00 4.05019425D+01
                 4.92723801D-01 1.59046193D+00 3.46058326D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.2069   -0.2070       -0.7688   -0.7686
 2      0.2069    0.2070       -0.5700   -0.5700      -10.3199  -10.3197
 3      0.7688    0.7686       13.2017   13.2014        0.5702    0.5700
 4      0.5700    0.5700        0.0000    0.0000        0.7684    0.7686
 5     -2.8817   -2.8816       -0.7684   -0.7686       -0.2071   -0.2070
 6     -0.5703   -0.5700        0.2071    0.2070        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.6209    0.6209       -2.3057   -2.3057
 2      1.7099    1.7099        0.0000    0.0000       -2.3057   -2.3057
 3      1.7099    1.7099        0.6209    0.6209       -0.0000    0.0000
 4      0.6209    0.6209       -1.7099   -1.7099      -30.9592  -30.9592
 5      2.3057    2.3057       39.6041   39.6041        1.7099    1.7099
 6     -8.6449   -8.6449       -2.3057   -2.3057       -0.6209   -0.6209
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0327    0.0000        0.7914    0.8278        3.1387    3.0743
 2     -0.8476   -0.8278        2.2917    2.2799       41.2859   41.2790
 3     -3.0807   -3.0743      -52.7634  -52.8055       -2.3658   -2.2799
 4     -2.2856   -2.2799        0.0154    0.0000       -3.1013   -3.0743
 5     11.5463   11.5265        3.0152    3.0743        0.8511    0.8278
 6      2.2637    2.2799       -0.8500   -0.8278        0.0365    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0053    0.0000       14.6196   14.6180       11.0449   11.0648
 2    -14.6140  -14.6180       -5.1166   -5.0833       -4.1875   -4.1948
 3    -11.0938  -11.0648        0.6798    0.6487        4.9887    5.0833
 4      5.0732    5.0833        0.0656    0.0000      -11.0691  -11.0648
 5      3.5770    3.5461       11.1325   11.0648       14.5225   14.6180
 6     -5.0801   -5.0833      -14.6901  -14.6180        0.0637    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     13.0638   13.0635       29.0581   29.0513       -0.6273   -0.6539
 2     16.4457   16.4837       31.6801   31.5996       -0.7171   -0.6539
 3     16.4705   16.4837       29.1278   29.0513       -4.6626   -4.6204
 4     -2.5690   -2.5483       -3.4692   -3.4201       -2.5309   -2.5869
 5     -3.9474   -3.9665        0.1750    0.1769        3.5609    3.4201
 6      2.4820    2.4100        4.0854    3.9665        2.3887    2.5483
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.9068    0.0067    0.0075    0.0111    2.4512    4.6877
 Low frequencies ---  220.1431  308.3106  421.2903
 Diagonal vibrational polarizability:
       13.1917743       5.9830010       0.7150335
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --    220.1431               308.3105               421.2903
 Red. masses --     26.5398                21.0395                17.6134
 Frc consts  --      0.7578                 1.1783                 1.8419
 IR Inten    --      0.0495                 0.2395                 0.6739
 RamAct Fr= 1--      4.5951                 3.9346                 6.1420
  Dep-P Fr= 1--      0.3866                 0.3825                 0.1439
  Dep-U Fr= 1--      0.5576                 0.5533                 0.2516
 Alpha2 Fr= 1--      0.0357                 0.0310                 0.0964
 Beta2  Fr= 1--      0.4270                 0.3628                 0.2576
 AlphaG Fr= 1--      0.0130                -0.0292                 0.0101
 Gamma2 Fr= 1--      0.0928                -0.0470                -0.2210
 Delta2 Fr= 1--      0.0365                -0.0314                 0.0063
 Raman1 Fr= 1--      18.380                 15.738                 24.568
 ROA1   Fr= 1--      10.079                 -5.516                -21.017
 CID1   Fr= 1--       0.548                 -0.350                 -0.855
 Raman2 Fr= 1--       5.125                  4.354                  3.091
 ROA2   Fr= 1--       1.936                 -0.877                 -5.355
 CID2   Fr= 1--       0.378                 -0.201                 -1.732
 Raman3 Fr= 1--      10.249                  8.708                  6.182
 ROA3   Fr= 1--      10.079                 -5.516                -21.017
 CID3   Fr= 1--       0.983                 -0.633                 -3.400
 RC180  Fr= 1--       0.115                  0.107                 -0.497
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.36  -0.08     0.10   0.24  -0.10     0.15   0.27  -0.36
     2  17     0.64   0.11   0.02    -0.07   0.17  -0.01     0.21  -0.36   0.05
     3  35    -0.30   0.10   0.01    -0.18  -0.16   0.01    -0.08  -0.04   0.01
     4   9     0.00  -0.34  -0.02     0.84   0.19   0.04    -0.17   0.62   0.11
     5   1    -0.00  -0.46  -0.06    -0.18   0.21  -0.09     0.21   0.06  -0.35
                      4                      5                      6
                      A                      A                      A
 Frequencies --    644.8537               752.9321              1080.7938
 Red. masses --      5.6839                 8.0982                11.5581
 Frc consts  --      1.3926                 2.7049                 7.9547
 IR Inten    --     66.9507               199.4254               196.1233
 RamAct Fr= 1--     19.8288                 4.9978                 2.8362
  Dep-P Fr= 1--      0.1128                 0.6138                 0.6475
  Dep-U Fr= 1--      0.2028                 0.7607                 0.7860
 Alpha2 Fr= 1--      0.3364                 0.0125                 0.0052
 Beta2  Fr= 1--      0.6701                 0.6336                 0.3716
 AlphaG Fr= 1--      0.0483                -0.0080                 0.0003
 Gamma2 Fr= 1--     -0.7152                 1.3738                -0.0016
 Delta2 Fr= 1--      0.0791                -0.0400                 0.0276
 Raman1 Fr= 1--      79.315                 19.991                 11.345
 ROA1   Fr= 1--     -66.130                130.605                  0.735
 CID1   Fr= 1--      -0.834                  6.533                  0.065
 Raman2 Fr= 1--       8.041                  7.603                  4.459
 ROA2   Fr= 1--     -17.799                 33.291                 -0.258
 CID2   Fr= 1--      -2.213                  4.379                 -0.058
 Raman3 Fr= 1--      16.083                 15.206                  8.917
 ROA3   Fr= 1--     -66.130                130.605                  0.735
 CID3   Fr= 1--      -4.112                  8.589                  0.082
 RC180  Fr= 1--      -0.594                  0.521                  0.572
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.35   0.22   0.44     0.60  -0.30  -0.27     0.13   0.64  -0.39
     2  17     0.01  -0.04  -0.04    -0.13   0.10   0.09    -0.00  -0.00   0.00
     3  35    -0.05  -0.02  -0.04    -0.02   0.00  -0.00     0.00   0.00   0.00
     4   9    -0.06  -0.03  -0.07    -0.08   0.02   0.04    -0.08  -0.41   0.24
     5   1     0.48   0.45   0.42     0.45  -0.41  -0.26    -0.12   0.24  -0.34
                      7                      8                      9
                      A                      A                      A
 Frequencies --   1217.2294              1325.7234              3153.3835
 Red. masses --      1.0950                 1.1129                 1.0883
 Frc consts  --      0.9559                 1.1524                 6.3763
 IR Inten    --     65.2114                12.2218                 1.0582
 RamAct Fr= 1--      3.0338                 4.1101                84.4928
  Dep-P Fr= 1--      0.3370                 0.4775                 0.2138
  Dep-U Fr= 1--      0.5042                 0.6463                 0.3523
 Alpha2 Fr= 1--      0.0278                 0.0225                 1.1060
 Beta2  Fr= 1--      0.2549                 0.4428                 4.9607
 AlphaG Fr= 1--      0.0817                -0.0214                -0.0756
 Gamma2 Fr= 1--      0.4172                -0.2006                 0.4579
 Delta2 Fr= 1--      0.1123                 0.1026                -0.3794
 Raman1 Fr= 1--      12.135                 16.441                337.971
 ROA1   Fr= 1--      43.645                -15.974                 31.814
 CID1   Fr= 1--       3.597                 -0.972                  0.094
 Raman2 Fr= 1--       3.059                  5.313                 59.528
 ROA2   Fr= 1--       9.115                 -5.635                 14.024
 CID2   Fr= 1--       2.980                 -1.061                  0.236
 Raman3 Fr= 1--       6.118                 10.626                119.056
 ROA3   Fr= 1--      43.645                -15.974                 31.814
 CID3   Fr= 1--       7.134                 -1.503                  0.267
 RC180  Fr= 1--       0.008                  0.293                 -0.295
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.01  -0.02    -0.01  -0.08  -0.03    -0.00  -0.01  -0.08
     2  17    -0.00   0.01   0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3  35    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   9     0.01  -0.01   0.01    -0.00  -0.00   0.04     0.00   0.00   0.00
     5   1     0.99  -0.07  -0.04     0.06   0.98  -0.15     0.03   0.11   0.99

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 17 and mass  34.96885
 Atom     3 has atomic number 35 and mass  78.91834
 Atom     4 has atomic number  9 and mass  18.99840
 Atom     5 has atomic number  1 and mass   1.00783
 Molecular mass:   145.89342 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   281.00668 908.957091152.75840
           X            0.99995  -0.00934   0.00402
           Y            0.00927   0.99982   0.01651
           Z           -0.00417  -0.01647   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.30823     0.09529     0.07514
 Rotational constants (GHZ):           6.42241     1.98551     1.56558
 Zero-point vibrational energy      54577.6 (Joules/Mol)
                                   13.04436 (Kcal/Mol)
 Warning -- explicit consideration of   3 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    316.74   443.59   606.14   927.80  1083.30
          (Kelvin)           1555.02  1751.32  1907.42  4537.02
 
 Zero-point correction=                           0.020788 (Hartree/Particle)
 Thermal correction to Energy=                    0.025132
 Thermal correction to Enthalpy=                  0.026076
 Thermal correction to Gibbs Free Energy=        -0.008608
 Sum of electronic and zero-point Energies=          -3172.995939
 Sum of electronic and thermal Energies=             -3172.991595
 Sum of electronic and thermal Enthalpies=           -3172.990651
 Sum of electronic and thermal Free Energies=        -3173.025334
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   15.770             13.150             72.998
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.844
 Rotational               0.889              2.981             27.179
 Vibrational             13.993              7.189              4.975
 Vibration     1          0.647              1.810              1.958
 Vibration     2          0.698              1.658              1.371
 Vibration     3          0.784              1.424              0.888
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.910574D+04          3.959315          9.116660
 Total V=0       0.331814D+14         13.520895         31.133011
 Vib (Bot)       0.676804D-09         -9.169537        -21.113640
 Vib (Bot)    1  0.898468D+00         -0.046497         -0.107064
 Vib (Bot)    2  0.613919D+00         -0.211889         -0.487893
 Vib (Bot)    3  0.416378D+00         -0.380513         -0.876163
 Vib (V=0)       0.246628D+01          0.392043          0.902712
 Vib (V=0)    1  0.152822D+01          0.184187          0.424107
 Vib (V=0)    2  0.129177D+01          0.111184          0.256012
 Vib (V=0)    3  0.115067D+01          0.060950          0.140344
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.692640D+08          7.840507         18.053436
 Rotational      0.194243D+06          5.288345         12.176864
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                                                                         1   1     1                                           
     1                                                                         3   2     0            7    6        4   3   2        
     5                                                                         2   1     8            5    4        2   0   2        
     3                                                                         6   7     1            3    5        1   8   0        
 
     X                                                                         X   X     X            X    X        X   X            
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                   X     X            X    X                         
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
                                                                                         X            X                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000376    0.000007596    0.000008380
      2       17          -0.000005249   -0.000002155   -0.000004880
      3       35           0.000006364   -0.000001735    0.000001409
      4        9          -0.000001304   -0.000002289   -0.000003894
      5        1          -0.000000188   -0.000001417   -0.000001014
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000008380 RMS     0.000004121
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.243316D+00
      2  0.944894D-02  0.345246D+00
      3 -0.750868D-02 -0.135628D-01  0.564762D+00
      4 -0.759742D-01  0.392777D-01  0.364195D-01  0.115290D+00
      5  0.317880D-01 -0.587631D-01 -0.318815D-01 -0.779008D-01  0.107857D+00
      6  0.221968D-01 -0.206848D-01 -0.581604D-01 -0.351626D-01  0.299508D-01
      7 -0.702310D-01 -0.147378D-01 -0.333916D-01 -0.342684D-01  0.708698D-02
      8 -0.119859D-01 -0.262034D-01 -0.126933D-01  0.829409D-02  0.539661D-02
      9 -0.197735D-01 -0.801973D-02 -0.430829D-01  0.280635D-02  0.169533D-02
     10 -0.611045D-01 -0.310879D-01  0.222137D-01  0.286213D-02  0.242599D-01
     11 -0.269721D-01 -0.213011D+00  0.110690D+00  0.206874D-01 -0.478458D-01
     12  0.154907D-01  0.810553D-01 -0.130831D+00 -0.641041D-02  0.351968D-02
     13 -0.360061D-01 -0.290088D-02 -0.177329D-01 -0.790979D-02  0.147659D-01
     14 -0.227883D-02 -0.472682D-01 -0.525527D-01  0.964160D-02 -0.664483D-02
     15 -0.104053D-01 -0.387879D-01 -0.332687D+00  0.234723D-02 -0.328426D-02
                6             7             8             9            10 
      6  0.409478D-01
      7 -0.256157D-03  0.137170D+00
      8  0.200933D-02  0.413150D-01  0.409488D-01
      9  0.566192D-02  0.289149D-01  0.983497D-02  0.275773D-01
     10 -0.742308D-02 -0.167381D-01 -0.283901D-01  0.800435D-02  0.682318D-01
     11  0.548366D-02 -0.278658D-01 -0.212061D-01  0.282231D-02  0.378257D-01
     12  0.119779D-01  0.672376D-02  0.198407D-02  0.894446D-02 -0.243323D-01
     13  0.206451D-01 -0.159320D-01 -0.923302D-02 -0.199521D-01  0.674878D-02
     14 -0.167590D-01 -0.579830D-02  0.106409D-02 -0.633288D-02 -0.260764D-02
     15 -0.427250D-03 -0.199091D-02 -0.113504D-02  0.899157D-03  0.153730D-02
               11            12            13            14            15 
     11  0.293965D+00
     12 -0.130687D+00  0.124021D+00
     13 -0.367516D-02  0.852824D-02  0.530991D-01
     14 -0.119017D-01  0.441277D-01  0.104317D-02  0.647506D-01
     15  0.116904D-01 -0.141126D-01  0.851170D-02  0.315168D-01  0.346328D+00
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.683118D+02 -0.153714D+01  0.413900D+00
      2  -0.153714D+01  0.476723D+02  0.113996D+01
      3   0.413900D+00  0.113996D+01  0.419091D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.803291D+00  0.536729D+01  0.601062D+01
      2  -0.164321D+02  0.129411D+01  0.499592D+01
      3   0.860736D+01 -0.100792D+02 -0.478954D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.244789D+02 -0.195685D+02 -0.922651D+01
      2  -0.570767D+01  0.753739D+01 -0.460614D+01
      3  -0.187712D+02  0.120311D+02  0.138326D+02
      4  -0.341012D+02  0.304021D+02  0.198268D+01
      5   0.339514D+00  0.152206D+01  0.139184D+02
      6   0.114986D+01  0.993371D+00 -0.504990D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    15 ND12= 1 LenFil=     543:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.105094D+02  0.458254D+01  0.192124D+01  0.832506D+01 -0.126456D+01
      2   0.458254D+01  0.648552D-01 -0.113926D-01 -0.126456D+01  0.192924D+01
      3   0.192124D+01 -0.113926D-01  0.146445D+01  0.945477D-01  0.126205D+01
                 6             7             8             9            10 
      1   0.945477D-01  0.267854D+01 -0.292401D+00 -0.533329D+00  0.120377D+02
      2   0.126205D+01 -0.292401D+00  0.173868D+01 -0.173732D+01 -0.364271D+01
      3   0.201965D+01 -0.533329D+00 -0.173732D+01 -0.478671D+01 -0.852152D+00
                11            12            13            14            15 
      1  -0.364271D+01 -0.852152D+00 -0.359033D+01  0.593485D+01  0.354355D+00
      2   0.307680D+01  0.232424D+00  0.593485D+01 -0.663363D+01 -0.724847D+00
      3   0.232424D+00  0.143134D+01  0.354355D+00 -0.724847D+00 -0.110068D+01
                16            17            18            19            20 
      1  -0.159363D+01  0.340926D+00  0.436811D+01 -0.226889D+02 -0.232456D+01
      2   0.340926D+00 -0.105829D+01 -0.203510D+01 -0.232456D+01 -0.382845D+01
      3   0.436811D+01 -0.203510D+01 -0.139531D+01 -0.128382D+01 -0.163202D+00
                21            22            23            24            25 
      1  -0.128382D+01 -0.433038D+01 -0.612909D+01 -0.258929D+00 -0.268645D+01
      2  -0.163202D+00 -0.612909D+01 -0.272821D+01 -0.556445D+00 -0.146517D+00
      3  -0.267279D+01 -0.258929D+00 -0.556445D+00 -0.730585D+00 -0.563884D+01
                26            27            28            29            30 
      1  -0.146517D+00 -0.563884D+01  0.689968D+00  0.176461D+01 -0.353635D+00
      2  -0.911245D+00 -0.779382D+00  0.176461D+01  0.522456D+00 -0.171919D+00
      3  -0.779382D+00 -0.150101D+01 -0.353635D+00 -0.171919D+00 -0.284610D+00
                31            32            33            34            35 
      1   0.181184D-01  0.972084D+00 -0.355301D+00 -0.577673D+00 -0.153964D+00
      2   0.972084D+00  0.645527D+01 -0.125023D+01 -0.153964D+00 -0.150592D+01
      3  -0.355301D+00 -0.125023D+01 -0.858859D+00  0.631172D+00  0.222479D+01
                36            37            38            39            40 
      1   0.631172D+00 -0.548059D+00 -0.379876D+00  0.568368D+00 -0.422459D+00
      2   0.222479D+01 -0.379876D+00  0.164341D+00  0.114090D+00  0.486725D+00
      3  -0.277986D+00  0.568368D+00  0.114090D+00  0.616090D-01  0.165328D+00
                41            42            43            44            45 
      1   0.486725D+00  0.165328D+00  0.217922D+01  0.251955D+00  0.117289D+01
      2   0.977325D+00  0.126947D+01  0.251955D+00  0.173678D+01  0.232702D+01
      3   0.126947D+01  0.670475D+00  0.117289D+01  0.232702D+01  0.796102D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.409534D+01 -0.743930D+00 -0.601326D+00 -0.204553D+01 -0.116614D+01
      2  -0.671257D+01 -0.224887D+01 -0.867700D+01 -0.596029D+01  0.174227D+01
      3   0.370784D+01  0.193538D+01 -0.593765D+00  0.194348D+02 -0.140851D+01
                 6             7             8             9            10 
      1   0.610076D+00 -0.503952D+00  0.890362D+01  0.109575D+01 -0.182751D+01
      2   0.100092D+01 -0.245699D+02  0.180488D+00 -0.162500D+01 -0.703730D+01
      3  -0.192643D+00  0.259776D+01 -0.171779D+01  0.694236D+00  0.670781D+01
                11            12            13            14            15 
      1   0.135868D+01  0.159605D+01  0.288332D+01 -0.256627D+01 -0.685283D+01
      2   0.273750D+01  0.117709D+02  0.231708D+01 -0.384244D+01 -0.344133D+01
      3  -0.128695D+02 -0.269100D+00 -0.289833D-01  0.879724D+01  0.394201D+00
                16            17            18            19            20 
      1  -0.170700D+01  0.584961D+01 -0.102137D+01 -0.755801D+00 -0.127743D+01
      2  -0.873708D+00 -0.181753D+01 -0.413531D+01  0.141021D+02  0.948417D+00
      3   0.496904D-02  0.131216D+01  0.328845D+01 -0.121548D+02 -0.985592D+01
                21            22            23            24            25 
      1  -0.550771D-01 -0.206890D+01 -0.774641D+00 -0.912347D+01  0.224488D+01
      2   0.128937D+02  0.259847D+01  0.288861D+01  0.748232D+00 -0.791813D+01
      3  -0.813601D-01  0.734470D+01 -0.211857D+01  0.122196D+00 -0.123530D+01
                26            27            28            29            30 
      1   0.859248D+01 -0.403335D-01 -0.871997D+00  0.237163D+00 -0.954420D+00
      2  -0.141732D+00  0.307513D+01  0.531319D+00 -0.713752D+00  0.288847D+01
      3  -0.153437D-01 -0.209806D+01  0.197070D+01 -0.100496D+01  0.287895D+00
                31            32            33            34            35 
      1   0.444720D+00  0.300997D+01 -0.555511D+01 -0.241296D+00 -0.141206D+01
      2   0.118339D+01 -0.112085D+01  0.146149D+01  0.197446D+01  0.136079D+01
      3   0.756887D+01 -0.550617D+01  0.542269D+00 -0.315417D+01  0.150941D+01
                36            37            38            39            40 
      1   0.319419D+01 -0.640029D+00  0.425524D+00  0.147670D-01  0.579515D+00
      2  -0.130049D+01 -0.676633D+00 -0.153282D+00  0.207842D+01 -0.138650D+00
      3  -0.115700D+01  0.537309D+00 -0.204121D+01  0.860798D-01 -0.163239D+00
                41            42            43            44            45 
      1   0.927087D+00 -0.331332D-01 -0.561463D+00  0.190252D+01 -0.265799D+01
      2   0.332406D+00  0.230689D+00 -0.276881D+01  0.118636D+01  0.377856D+01
      3  -0.532380D+00 -0.658924D+00  0.178674D+01 -0.108843D+01 -0.727621D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.343815D+02  0.355281D+01  0.192441D+00  0.678589D+01 -0.288032D+00
      2   0.200297D+02 -0.643053D+00  0.392128D+00 -0.270146D+01 -0.704289D+01
      3   0.143518D+02 -0.290976D+01 -0.584569D+00 -0.408443D+01  0.733092D+01
      4   0.295797D+01 -0.224630D+02 -0.121570D+01 -0.111180D+02  0.275477D+01
      5   0.104252D+01 -0.615401D-01 -0.174758D+02 -0.619028D+00  0.147541D+01
      6   0.212432D+01  0.501447D+00  0.134614D+01  0.547191D+00  0.183225D+01
                 6             7             8             9            10 
      1  -0.287304D+01  0.303985D+01  0.229348D+00  0.919488D+01  0.612559D+02
      2   0.363723D+01  0.652571D+00  0.497273D+01  0.294832D+01 -0.302126D+02
      3  -0.764196D+00 -0.369242D+01 -0.520208D+01 -0.121432D+02 -0.310433D+02
      4   0.249803D+01 -0.266380D+01  0.349028D+01 -0.263086D+01 -0.228138D+02
      5   0.230965D+01  0.135608D+01 -0.187950D+01 -0.534954D+01 -0.357903D+01
      6  -0.419273D+01 -0.354584D+00 -0.259681D+00 -0.666484D+01 -0.438449D+00
                11            12            13            14            15 
      1  -0.126728D+02 -0.335587D+01 -0.931314D+01  0.635652D+00  0.321205D+00
      2   0.348037D+01  0.145898D+01 -0.298515D+01  0.159542D+02  0.465901D+00
      3   0.919244D+01  0.189689D+01  0.122983D+02 -0.165899D+02 -0.787106D+00
      4   0.281512D+02  0.160439D+01  0.360080D+02 -0.271681D+02 -0.320124D+01
      5   0.810310D+00  0.209613D+02  0.232859D+00 -0.181161D+01 -0.669888D+01
      6  -0.901646D+00 -0.347983D+01 -0.585050D+00  0.724731D+00  0.140912D+02
                16            17            18            19            20 
      1  -0.464809D+01  0.110841D+01  0.102755D+00  0.597063D+02  0.497087D+01
      2   0.300106D+01  0.165152D+00 -0.113059D+02 -0.335534D+02 -0.261549D+01
      3   0.164703D+01 -0.127356D+01  0.112031D+02 -0.261529D+02 -0.235539D+01
      4   0.235622D+01 -0.414325D+01 -0.767978D+01  0.116284D+02  0.249058D+02
      5   0.280787D+02 -0.812640D+01 -0.557846D+01  0.190130D+01  0.166369D+00
      6  -0.653634D+01  0.137579D+02  0.825409D+00 -0.149653D+01  0.586207D+00
                21            22            23            24            25 
      1   0.320683D+01  0.390335D+01 -0.863520D+01  0.682648D+00  0.309313D+01
      2  -0.122040D+01 -0.704985D+00  0.196914D+02 -0.276905D+00 -0.224123D+01
      3  -0.198643D+01 -0.319837D+01 -0.110562D+02 -0.405743D+00 -0.851905D+00
      4   0.784116D+00  0.340125D+02  0.641453D+01  0.138988D+01  0.143213D+01
      5   0.258992D+02 -0.157923D+00  0.182800D+00  0.233855D+01  0.311594D+02
      6   0.963671D+00  0.202826D+00 -0.552693D+00  0.178761D+02  0.156350D+01
                26            27            28            29            30 
      1   0.920737D+00 -0.102656D+02  0.179534D+01  0.226335D+01 -0.507938D+00
      2  -0.259570D+00 -0.139404D+02  0.199672D+01  0.102403D+01  0.337041D+00
      3  -0.661167D+00  0.242060D+02 -0.379207D+01 -0.328738D+01  0.170896D+00
      4   0.139298D+01  0.208016D+01  0.633157D+01  0.126627D+02 -0.223568D+01
      5   0.172391D+01  0.216111D+01 -0.125618D+01 -0.189327D+01  0.462064D+01
      6   0.171268D+02 -0.880849D+00 -0.196249D+01 -0.335311D+00  0.802784D+00
                31            32            33            34            35 
      1   0.502250D+00 -0.186377D+02  0.425849D+01 -0.989717D+00  0.394227D+01
      2   0.380558D+01  0.331085D+02 -0.335498D+01  0.260949D+00 -0.569342D+01
      3  -0.430783D+01 -0.144708D+02 -0.903512D+00  0.728768D+00  0.175115D+01
      4   0.689423D+01  0.150872D+02 -0.215333D+01 -0.189923D+01 -0.365888D+01
      5  -0.602876D+00 -0.149969D+01  0.998463D+00  0.322452D+01  0.360149D+01
      6  -0.572410D+00 -0.490769D+01  0.719470D+01  0.211025D+01  0.101373D+02
                36            37            38            39            40 
      1  -0.686690D+01  0.270639D+01 -0.163741D+00  0.101640D+01 -0.853603D+00
      2   0.443228D+01 -0.380165D+01 -0.221104D+00 -0.124368D+01  0.536507D+00
      3   0.243462D+01  0.109526D+01  0.384846D+00  0.227278D+00  0.317095D+00
      4   0.436567D+01  0.358741D+00  0.441553D+01  0.220283D+01  0.251510D+01
      5  -0.174659D+01  0.230529D+01  0.211809D+01  0.790369D+01  0.114697D+01
      6  -0.450289D+01  0.177315D+01  0.149303D+00  0.367236D+00  0.821343D+00
                41            42            43            44            45 
      1  -0.485622D+01 -0.314928D+01 -0.771104D+00 -0.696073D+01 -0.201045D+02
      2   0.185181D+01  0.104870D+01 -0.194929D+01  0.551340D-01 -0.100737D+02
      3   0.300441D+01  0.210059D+01  0.272039D+01  0.690560D+01  0.301782D+02
      4   0.137448D+01  0.188056D+01  0.774675D+00  0.291888D+01  0.386480D+01
      5   0.165309D+01  0.105222D+01  0.449315D+01  0.314337D+01  0.109274D+02
      6   0.404337D+01  0.693985D+01  0.168003D+01  0.690989D+01  0.123631D+02
 Leave Link  716 at Sat Jul 10 01:32:14 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.683118D+02 -0.153714D+01  0.413900D+00
      2  -0.153714D+01  0.476723D+02  0.113996D+01
      3   0.413900D+00  0.113996D+01  0.419091D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.803291D+00  0.536729D+01  0.601062D+01
      2  -0.164321D+02  0.129411D+01  0.499592D+01
      3   0.860736D+01 -0.100792D+02 -0.478954D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.244789D+02 -0.195685D+02 -0.922651D+01
      2  -0.570767D+01  0.753739D+01 -0.460614D+01
      3  -0.187712D+02  0.120311D+02  0.138326D+02
      4  -0.341012D+02  0.304021D+02  0.198268D+01
      5   0.339514D+00  0.152206D+01  0.139184D+02
      6   0.114986D+01  0.993371D+00 -0.504990D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    15 ND12= 1 LenFil=     543:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.105094D+02  0.458254D+01  0.192124D+01  0.832506D+01 -0.126456D+01
      2   0.458254D+01  0.648552D-01 -0.113926D-01 -0.126456D+01  0.192924D+01
      3   0.192124D+01 -0.113926D-01  0.146445D+01  0.945477D-01  0.126205D+01
                 6             7             8             9            10 
      1   0.945477D-01  0.267854D+01 -0.292401D+00 -0.533329D+00  0.120377D+02
      2   0.126205D+01 -0.292401D+00  0.173868D+01 -0.173732D+01 -0.364271D+01
      3   0.201965D+01 -0.533329D+00 -0.173732D+01 -0.478671D+01 -0.852152D+00
                11            12            13            14            15 
      1  -0.364271D+01 -0.852152D+00 -0.359033D+01  0.593485D+01  0.354355D+00
      2   0.307680D+01  0.232424D+00  0.593485D+01 -0.663363D+01 -0.724847D+00
      3   0.232424D+00  0.143134D+01  0.354355D+00 -0.724847D+00 -0.110068D+01
                16            17            18            19            20 
      1  -0.159363D+01  0.340926D+00  0.436811D+01 -0.226889D+02 -0.232456D+01
      2   0.340926D+00 -0.105829D+01 -0.203510D+01 -0.232456D+01 -0.382845D+01
      3   0.436811D+01 -0.203510D+01 -0.139531D+01 -0.128382D+01 -0.163202D+00
                21            22            23            24            25 
      1  -0.128382D+01 -0.433038D+01 -0.612909D+01 -0.258929D+00 -0.268645D+01
      2  -0.163202D+00 -0.612909D+01 -0.272821D+01 -0.556445D+00 -0.146517D+00
      3  -0.267279D+01 -0.258929D+00 -0.556445D+00 -0.730585D+00 -0.563884D+01
                26            27            28            29            30 
      1  -0.146517D+00 -0.563884D+01  0.689968D+00  0.176461D+01 -0.353635D+00
      2  -0.911245D+00 -0.779382D+00  0.176461D+01  0.522456D+00 -0.171919D+00
      3  -0.779382D+00 -0.150101D+01 -0.353635D+00 -0.171919D+00 -0.284610D+00
                31            32            33            34            35 
      1   0.181184D-01  0.972084D+00 -0.355301D+00 -0.577673D+00 -0.153964D+00
      2   0.972084D+00  0.645527D+01 -0.125023D+01 -0.153964D+00 -0.150592D+01
      3  -0.355301D+00 -0.125023D+01 -0.858859D+00  0.631172D+00  0.222479D+01
                36            37            38            39            40 
      1   0.631172D+00 -0.548059D+00 -0.379876D+00  0.568368D+00 -0.422459D+00
      2   0.222479D+01 -0.379876D+00  0.164341D+00  0.114090D+00  0.486725D+00
      3  -0.277986D+00  0.568368D+00  0.114090D+00  0.616090D-01  0.165328D+00
                41            42            43            44            45 
      1   0.486725D+00  0.165328D+00  0.217922D+01  0.251955D+00  0.117289D+01
      2   0.977325D+00  0.126947D+01  0.251955D+00  0.173678D+01  0.232702D+01
      3   0.126947D+01  0.670475D+00  0.117289D+01  0.232702D+01  0.796102D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.409534D+01 -0.743930D+00 -0.601326D+00 -0.204553D+01 -0.116614D+01
      2  -0.671257D+01 -0.224887D+01 -0.867700D+01 -0.596029D+01  0.174227D+01
      3   0.370784D+01  0.193538D+01 -0.593765D+00  0.194348D+02 -0.140851D+01
                 6             7             8             9            10 
      1   0.610076D+00 -0.503952D+00  0.890362D+01  0.109575D+01 -0.182751D+01
      2   0.100092D+01 -0.245699D+02  0.180488D+00 -0.162500D+01 -0.703730D+01
      3  -0.192643D+00  0.259776D+01 -0.171779D+01  0.694236D+00  0.670781D+01
                11            12            13            14            15 
      1   0.135868D+01  0.159605D+01  0.288332D+01 -0.256627D+01 -0.685283D+01
      2   0.273750D+01  0.117709D+02  0.231708D+01 -0.384244D+01 -0.344133D+01
      3  -0.128695D+02 -0.269100D+00 -0.289833D-01  0.879724D+01  0.394201D+00
                16            17            18            19            20 
      1  -0.170700D+01  0.584961D+01 -0.102137D+01 -0.755801D+00 -0.127743D+01
      2  -0.873708D+00 -0.181753D+01 -0.413531D+01  0.141021D+02  0.948417D+00
      3   0.496904D-02  0.131216D+01  0.328845D+01 -0.121548D+02 -0.985592D+01
                21            22            23            24            25 
      1  -0.550771D-01 -0.206890D+01 -0.774641D+00 -0.912347D+01  0.224488D+01
      2   0.128937D+02  0.259847D+01  0.288861D+01  0.748232D+00 -0.791813D+01
      3  -0.813601D-01  0.734470D+01 -0.211857D+01  0.122196D+00 -0.123530D+01
                26            27            28            29            30 
      1   0.859248D+01 -0.403335D-01 -0.871997D+00  0.237163D+00 -0.954420D+00
      2  -0.141732D+00  0.307513D+01  0.531319D+00 -0.713752D+00  0.288847D+01
      3  -0.153437D-01 -0.209806D+01  0.197070D+01 -0.100496D+01  0.287895D+00
                31            32            33            34            35 
      1   0.444720D+00  0.300997D+01 -0.555511D+01 -0.241296D+00 -0.141206D+01
      2   0.118339D+01 -0.112085D+01  0.146149D+01  0.197446D+01  0.136079D+01
      3   0.756887D+01 -0.550617D+01  0.542269D+00 -0.315417D+01  0.150941D+01
                36            37            38            39            40 
      1   0.319419D+01 -0.640029D+00  0.425524D+00  0.147670D-01  0.579515D+00
      2  -0.130049D+01 -0.676633D+00 -0.153282D+00  0.207842D+01 -0.138650D+00
      3  -0.115700D+01  0.537309D+00 -0.204121D+01  0.860798D-01 -0.163239D+00
                41            42            43            44            45 
      1   0.927087D+00 -0.331332D-01 -0.561463D+00  0.190252D+01 -0.265799D+01
      2   0.332406D+00  0.230689D+00 -0.276881D+01  0.118636D+01  0.377856D+01
      3  -0.532380D+00 -0.658924D+00  0.178674D+01 -0.108843D+01 -0.727621D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.343815D+02  0.355281D+01  0.192441D+00  0.678589D+01 -0.288032D+00
      2   0.200297D+02 -0.643053D+00  0.392128D+00 -0.270146D+01 -0.704289D+01
      3   0.143518D+02 -0.290976D+01 -0.584569D+00 -0.408443D+01  0.733092D+01
      4   0.295797D+01 -0.224630D+02 -0.121570D+01 -0.111180D+02  0.275477D+01
      5   0.104252D+01 -0.615401D-01 -0.174758D+02 -0.619028D+00  0.147541D+01
      6   0.212432D+01  0.501447D+00  0.134614D+01  0.547191D+00  0.183225D+01
                 6             7             8             9            10 
      1  -0.287304D+01  0.303985D+01  0.229348D+00  0.919488D+01  0.612559D+02
      2   0.363723D+01  0.652571D+00  0.497273D+01  0.294832D+01 -0.302126D+02
      3  -0.764196D+00 -0.369242D+01 -0.520208D+01 -0.121432D+02 -0.310433D+02
      4   0.249803D+01 -0.266380D+01  0.349028D+01 -0.263086D+01 -0.228138D+02
      5   0.230965D+01  0.135608D+01 -0.187950D+01 -0.534954D+01 -0.357903D+01
      6  -0.419273D+01 -0.354584D+00 -0.259681D+00 -0.666484D+01 -0.438449D+00
                11            12            13            14            15 
      1  -0.126728D+02 -0.335587D+01 -0.931314D+01  0.635652D+00  0.321205D+00
      2   0.348037D+01  0.145898D+01 -0.298515D+01  0.159542D+02  0.465901D+00
      3   0.919244D+01  0.189689D+01  0.122983D+02 -0.165899D+02 -0.787106D+00
      4   0.281512D+02  0.160439D+01  0.360080D+02 -0.271681D+02 -0.320124D+01
      5   0.810310D+00  0.209613D+02  0.232859D+00 -0.181161D+01 -0.669888D+01
      6  -0.901646D+00 -0.347983D+01 -0.585050D+00  0.724731D+00  0.140912D+02
                16            17            18            19            20 
      1  -0.464809D+01  0.110841D+01  0.102755D+00  0.597063D+02  0.497087D+01
      2   0.300106D+01  0.165152D+00 -0.113059D+02 -0.335534D+02 -0.261549D+01
      3   0.164703D+01 -0.127356D+01  0.112031D+02 -0.261529D+02 -0.235539D+01
      4   0.235622D+01 -0.414325D+01 -0.767978D+01  0.116284D+02  0.249058D+02
      5   0.280787D+02 -0.812640D+01 -0.557846D+01  0.190130D+01  0.166369D+00
      6  -0.653634D+01  0.137579D+02  0.825409D+00 -0.149653D+01  0.586207D+00
                21            22            23            24            25 
      1   0.320683D+01  0.390335D+01 -0.863520D+01  0.682648D+00  0.309313D+01
      2  -0.122040D+01 -0.704985D+00  0.196914D+02 -0.276905D+00 -0.224123D+01
      3  -0.198643D+01 -0.319837D+01 -0.110562D+02 -0.405743D+00 -0.851905D+00
      4   0.784116D+00  0.340125D+02  0.641453D+01  0.138988D+01  0.143213D+01
      5   0.258992D+02 -0.157923D+00  0.182800D+00  0.233855D+01  0.311594D+02
      6   0.963671D+00  0.202826D+00 -0.552693D+00  0.178761D+02  0.156350D+01
                26            27            28            29            30 
      1   0.920737D+00 -0.102656D+02  0.179534D+01  0.226335D+01 -0.507938D+00
      2  -0.259570D+00 -0.139404D+02  0.199672D+01  0.102403D+01  0.337041D+00
      3  -0.661167D+00  0.242060D+02 -0.379207D+01 -0.328738D+01  0.170896D+00
      4   0.139298D+01  0.208016D+01  0.633157D+01  0.126627D+02 -0.223568D+01
      5   0.172391D+01  0.216111D+01 -0.125618D+01 -0.189327D+01  0.462064D+01
      6   0.171268D+02 -0.880849D+00 -0.196249D+01 -0.335311D+00  0.802784D+00
                31            32            33            34            35 
      1   0.502250D+00 -0.186377D+02  0.425849D+01 -0.989717D+00  0.394227D+01
      2   0.380558D+01  0.331085D+02 -0.335498D+01  0.260949D+00 -0.569342D+01
      3  -0.430783D+01 -0.144708D+02 -0.903512D+00  0.728768D+00  0.175115D+01
      4   0.689423D+01  0.150872D+02 -0.215333D+01 -0.189923D+01 -0.365888D+01
      5  -0.602876D+00 -0.149969D+01  0.998463D+00  0.322452D+01  0.360149D+01
      6  -0.572410D+00 -0.490769D+01  0.719470D+01  0.211025D+01  0.101373D+02
                36            37            38            39            40 
      1  -0.686690D+01  0.270639D+01 -0.163741D+00  0.101640D+01 -0.853603D+00
      2   0.443228D+01 -0.380165D+01 -0.221104D+00 -0.124368D+01  0.536507D+00
      3   0.243462D+01  0.109526D+01  0.384846D+00  0.227278D+00  0.317095D+00
      4   0.436567D+01  0.358741D+00  0.441553D+01  0.220283D+01  0.251510D+01
      5  -0.174659D+01  0.230529D+01  0.211809D+01  0.790369D+01  0.114697D+01
      6  -0.450289D+01  0.177315D+01  0.149303D+00  0.367236D+00  0.821343D+00
                41            42            43            44            45 
      1  -0.485622D+01 -0.314928D+01 -0.771104D+00 -0.696073D+01 -0.201045D+02
      2   0.185181D+01  0.104870D+01 -0.194929D+01  0.551340D-01 -0.100737D+02
      3   0.300441D+01  0.210059D+01  0.272039D+01  0.690560D+01  0.301782D+02
      4   0.137448D+01  0.188056D+01  0.774675D+00  0.291888D+01  0.386480D+01
      5   0.165309D+01  0.105222D+01  0.449315D+01  0.314337D+01  0.109274D+02
      6   0.404337D+01  0.693985D+01  0.168003D+01  0.690989D+01  0.123631D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.482201D+00      0.122563D+01      0.408827D+01
   x          0.405292D-01      0.103015D+00      0.343620D+00
   y         -0.255286D-01     -0.648873D-01     -0.216441D+00
   z          0.479816D+00      0.121957D+01      0.406805D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.450002D+02      0.666834D+01      0.741953D+01
   aniso      0.232503D+02      0.344534D+01      0.383346D+01
   xx         0.598927D+02      0.887519D+01      0.987498D+01
   yx        -0.154520D+01     -0.228975D+00     -0.254769D+00
   yy         0.405019D+02      0.600177D+01      0.667787D+01
   zx         0.492724D+00      0.730141D-01      0.812392D-01
   zy         0.159046D+01      0.235682D+00      0.262232D+00
   zz         0.346058D+02      0.512806D+01      0.570573D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.526311D+02      0.779912D+01      0.867769D+01
   aniso      0.242828D+02      0.359834D+01      0.400369D+01
   xx         0.683118D+02      0.101228D+02      0.112631D+02
   yx        -0.153714D+01     -0.227780D+00     -0.253439D+00
   yy         0.476723D+02      0.706431D+01      0.786010D+01
   zx         0.413900D+00      0.613337D-01      0.682429D-01
   zy         0.113996D+01      0.168925D+00      0.187954D+00
   zz         0.419091D+02      0.621028D+01      0.690987D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.02926820          0.91556363          0.81941897
    17          3.46444051         -1.29696056          0.23334300
    35         -2.27724404         -0.35661271         -0.22680137
     9          1.52249819          3.08497396         -0.42000077
     1          0.92996966          1.27162130          2.83470941

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.482201D+00      0.122563D+01      0.408827D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.482201D+00      0.122563D+01      0.408827D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.450002D+02      0.666834D+01      0.741953D+01
   aniso      0.232503D+02      0.344534D+01      0.383346D+01
   xx         0.596240D+02      0.883536D+01      0.983067D+01
   yx        -0.157564D+01     -0.233486D+00     -0.259788D+00
   yy         0.406469D+02      0.602325D+01      0.670177D+01
   zx         0.269406D+01      0.399218D+00      0.444190D+00
   zy         0.114272D+01      0.169333D+00      0.188409D+00
   zz         0.347296D+02      0.514640D+01      0.572614D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.526311D+02      0.779912D+01      0.867769D+01
   aniso      0.242828D+02      0.359834D+01      0.400369D+01
   xx         0.680486D+02      0.100838D+02      0.112197D+02
   yx        -0.153182D+01     -0.226992D+00     -0.252563D+00
   yy         0.477700D+02      0.707879D+01      0.787621D+01
   zx         0.270650D+01      0.401062D+00      0.446241D+00
   zy         0.703720D+00      0.104281D+00      0.116028D+00
   zz         0.420745D+02      0.623480D+01      0.693715D+01

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U22-27\Freq\RB3LYP\Gen\C1H1Br1Cl1F1\PIERPA\10-Jul-2021\0\
 \#P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(No
 Symm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calc
 ulations.\\0,1\C,0.580263,0.462073,0.411344\Cl,1.835659,-0.687806,-0.0
 67556\Br,-1.211307,-0.18478,-0.028129\F,0.787779,1.643768,-0.202445\H,
 0.617958,0.593649,1.486907\\Version=ES64L-G16RevA.03\State=1-A\HF=-317
 3.0167263\RMSD=4.076e-09\RMSF=4.121e-06\ZeroPoint=0.0207875\Thermal=0.
 0251316\Dipole=0.0405292,-0.0255286,0.4798156\DipoleDeriv=1.7746132,-0
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 41531,-0.1381366,0.0333894,-0.1975955,-0.9776068,0.139601,0.0925047,0.
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 5,-0.0574278,0.0028873,-0.0060055,0.0076791\Polar=59.8927256,-1.545199
 2,40.5019425,0.4927238,1.5904619,34.6058326\Quadrupole=0.0821543,-1.09
 4271,1.0121168,-0.0416591,0.7882807,1.0473931\PG=C01 [X(C1H1Br1Cl1F1)]
 \NImag=0\\0.24331595,0.00944894,0.34524574,-0.00750868,-0.01356285,0.5
 6476176,-0.07597425,0.03927770,0.03641947,0.11529036,0.03178796,-0.058
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 772,0.00104317,0.06475061,-0.01040533,-0.03878791,-0.33268746,0.002347
 23,-0.00328426,-0.00042725,-0.00199091,-0.00113504,0.00089916,0.001537
 30,0.01169043,-0.01411256,0.00851170,0.03151678,0.34632812\\-0.0000003
 8,-0.00000760,-0.00000838,0.00000525,0.00000216,0.00000488,-0.00000636
 ,0.00000173,-0.00000141,0.00000130,0.00000229,0.00000389,0.00000019,0.
 00000142,0.00000101\\\@


 ON A CLEAR DISK YOU CAN SEEK FOREVER.
 Job cpu time:       0 days  0 hours  5 minutes 28.9 seconds.
 Elapsed time:       0 days  0 hours  0 minutes 42.1 seconds.
 File lengths (MBytes):  RWF=     97 Int=      0 D2E=      0 Chk=      3 Scr=      2
 Normal termination of Gaussian 16 at Sat Jul 10 01:32:14 2021.
